BDBM50145644 CHEMBL3763222

SMILES: CC1CN(CC(C)C1NCC(O)=O)c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1

InChI Key: InChIKey=AKQPRFBXVLHMRU-QJAWPJDZSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145644   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tryptophan 5-hydroxylase 1 (Homo sapiens (Human))	BDBM50145644 (CHEMBL3763222) Show SMILES CC1CN(CC(C)C1NCC(O)=O)c1cc(O[C@H](c2ccc(Cl)cc2-n2ccc(C)n2)C(F)(F)F)nc(N)n1 |r| Show InChI InChI=1S/C25H29ClF3N7O3/c1-13-11-35(12-14(2)22(13)31-10-21(37)38)19-9-20(33-24(30)32-19)39-23(25(27,28)29)17-5-4-16(26)8-18(17)36-7-6-15(3)34-36/h4-9,13-14,22-23,31H,10-12H2,1-3H3,(H,37,38)(H2,30,32,33)/t13?,14?,22?,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karos Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TPH1 (unknown origin)				Bioorg Med Chem Lett 26: 1124-9 (2016) BindingDB Entry DOI: 10.7270/Q2WD42DJ
					More data for this Ligand-Target Pair